![(E)-1-hexyl-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione structure](/static/products/858/858746-01-7.png)
(E)-1-hexyl-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (E)-1-hexyl-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 858746-01-7) is a chemical compound with molecular formula C24H32N4O6 and molecular weight 472.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hexyl-6-hydroxy-5-[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyliminomethyl]pyrimidine-2,4-dione
Also Known As: (E)-1-hexyl-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-1-hexyl-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, (5Z)-1-hexyl-5-[[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methylamino]methylidene]-1,3-diazinane-2,4,6-trione, 1-hexyl-5-[[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methylamino]methylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C24H32N4O6 |
|---|---|
| Molecular Weight | 472.23 g/mol |
| LogP | 2.2079 |
| Topological Polar Surface Area | 118.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 472.23218 |
| Heavy Atoms | 34 |
| Complexity | 1185.4514 |
Chemical Identifiers
| CAS Number | 858746-01-7 |
|---|---|
| SMILES | CCCCCCN1C(=C(C(=O)NC1=O)C=NCC2C3=C(C4=C(C=C3CCN2C)OCO4)OC)O |
Product Overview
(E)-1-hexyl-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 858746-01-7), with molecular formula C24H32N4O6 and molecular weight 472.23 g/mol. IUPAC: 1-hexyl-6-hydroxy-5-[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyliminomethyl]pyrimidine-2,4-dione.
Chemical Property Profile of (E)-1-hexyl-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (E)-1-hexyl-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 2.2079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-hexyl-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 118.38 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-hexyl-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (E)-1-hexyl-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-1-hexyl-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (E)-1-hexyl-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is 858746-01-7.
What is the molecular formula of (E)-1-hexyl-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (E)-1-hexyl-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is C24H32N4O6.
What is the molecular weight of (E)-1-hexyl-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (E)-1-hexyl-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is 472.23 g/mol.
Where can I buy (E)-1-hexyl-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (E)-1-hexyl-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-hexyl-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-hexyl-5-((((4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.